2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C13H16F3N3O3 — CID 10426076

IUPAC2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C13H16F3N3O3/c1-7(2)10(11(21)13(14,15)16)18-9(20)6-19-5-3-4-8(17)12(19)22/h3-5,7,10H,6,17H2,1-2H3,(H,18,20)
InChIKeyRPVAQYWPIDBFHT-UHFFFAOYSA-N
MW319.28 g/mol
LogP0.70
Rot. Bonds5

About 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10426076) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10426076
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C13H16F3N3O3/c1-7(2)10(11(21)13(14,15)16)18-9(20)6-19-5-3-4-8(17)12(19)22/h3-5,7,10H,6,17H2,1-2H3,(H,18,20)
InChIKeyRPVAQYWPIDBFHT-UHFFFAOYSA-N
XLogP0.70
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10426076) is 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is RPVAQYWPIDBFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-7(2)10(11(21)13(14,15)16)18-9(20)6-19-5-3-4-8(17)12(19)22/h3-5,7,10H,6,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 319.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10426076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).